CID 162341543

2248289-32-7

Structural Information

Molecular Formula
C13H8N2O4
SMILES
C1CC1(C#N)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H8N2O4/c14-7-13(5-6-13)12(18)19-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-4H,5-6H2
InChIKey
ZHLQEQRQKJCQDN-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 1-cyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05568 157.7
[M+Na]+ 279.03762 175.4
[M-H]- 255.04112 165.7
[M+NH4]+ 274.08222 173.1
[M+K]+ 295.01156 166.4
[M+H-H2O]+ 239.04566 148.2
[M+HCOO]- 301.04660 176.9
[M+CH3COO]- 315.06225 205.8
[M+Na-2H]- 277.02307 162.7
[M]+ 256.04785 159.3
[M]- 256.04895 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.